leila karami wrote:
Hi gromacs users
I want to use simulated annealing. I have a question:
1) in mdp file, T-couple = no. is that true?
No. You need a thermostat to control the temperature of your system.
-Justin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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